USER MOD reduce.3.24.130724 H: found=0, std=0, add=288, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 291 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 178 SER OG : rot 180:sc= 0.0739 USER MOD Single : B 178 SER OG : rot 59:sc= 1.17 USER MOD Single : C 178 SER OG : rot -84:sc= 1.22 USER MOD ----------------------------------------------------------------- ATOM 52 N LEU A 174 85.994 7.275 0.759 1.00 0.00 N ATOM 53 CA LEU A 174 84.512 7.217 0.595 1.00 0.00 C ATOM 54 C LEU A 174 83.796 6.875 1.899 1.00 0.00 C ATOM 55 O LEU A 174 82.752 7.413 2.181 1.00 0.00 O ATOM 56 CB LEU A 174 84.135 6.215 -0.514 1.00 0.00 C ATOM 57 CG LEU A 174 84.416 4.762 -0.088 1.00 0.00 C ATOM 58 CD1 LEU A 174 83.912 3.814 -1.183 1.00 0.00 C ATOM 59 CD2 LEU A 174 85.925 4.552 0.113 1.00 0.00 C ATOM 0 HA LEU A 174 84.179 8.213 0.303 1.00 0.00 H new ATOM 0 HB2 LEU A 174 83.079 6.324 -0.760 1.00 0.00 H new ATOM 0 HB3 LEU A 174 84.698 6.444 -1.419 1.00 0.00 H new ATOM 0 HG LEU A 174 83.902 4.556 0.851 1.00 0.00 H new ATOM 0 HD11 LEU A 174 84.107 2.783 -0.889 1.00 0.00 H new ATOM 0 HD12 LEU A 174 82.840 3.955 -1.322 1.00 0.00 H new ATOM 0 HD13 LEU A 174 84.430 4.029 -2.117 1.00 0.00 H new ATOM 0 HD21 LEU A 174 86.112 3.521 0.414 1.00 0.00 H new ATOM 0 HD22 LEU A 174 86.449 4.758 -0.821 1.00 0.00 H new ATOM 0 HD23 LEU A 174 86.286 5.228 0.888 1.00 0.00 H new ATOM 71 N GLY A 175 84.349 5.960 2.674 1.00 0.00 N ATOM 72 CA GLY A 175 83.700 5.554 3.952 1.00 0.00 C ATOM 73 C GLY A 175 83.536 6.729 4.929 1.00 0.00 C ATOM 74 O GLY A 175 82.537 6.813 5.618 1.00 0.00 O ATOM 0 H GLY A 175 85.225 5.481 2.467 1.00 0.00 H new ATOM 0 HA2 GLY A 175 82.721 5.124 3.738 1.00 0.00 H new ATOM 0 HA3 GLY A 175 84.295 4.773 4.425 1.00 0.00 H new ATOM 78 N TRP A 176 84.541 7.609 5.019 1.00 0.00 N ATOM 79 CA TRP A 176 84.479 8.750 5.987 1.00 0.00 C ATOM 80 C TRP A 176 83.291 9.699 5.748 1.00 0.00 C ATOM 81 O TRP A 176 82.689 10.157 6.699 1.00 0.00 O ATOM 82 CB TRP A 176 85.812 9.542 5.908 1.00 0.00 C ATOM 83 CG TRP A 176 86.572 9.461 7.202 1.00 0.00 C ATOM 84 CD1 TRP A 176 86.477 10.355 8.213 1.00 0.00 C ATOM 85 CD2 TRP A 176 87.535 8.457 7.632 1.00 0.00 C ATOM 86 NE1 TRP A 176 87.324 9.965 9.236 1.00 0.00 N ATOM 87 CE2 TRP A 176 87.997 8.800 8.925 1.00 0.00 C ATOM 88 CE3 TRP A 176 88.050 7.293 7.032 1.00 0.00 C ATOM 89 CZ2 TRP A 176 88.933 8.018 9.598 1.00 0.00 C ATOM 90 CZ3 TRP A 176 88.994 6.503 7.708 1.00 0.00 C ATOM 91 CH2 TRP A 176 89.435 6.865 8.989 1.00 0.00 C ATOM 0 H TRP A 176 85.392 7.571 4.457 1.00 0.00 H new ATOM 0 HA TRP A 176 84.330 8.325 6.980 1.00 0.00 H new ATOM 0 HB2 TRP A 176 86.425 9.147 5.098 1.00 0.00 H new ATOM 0 HB3 TRP A 176 85.604 10.585 5.670 1.00 0.00 H new ATOM 0 HD1 TRP A 176 85.844 11.230 8.221 1.00 0.00 H new ATOM 0 HE1 TRP A 176 87.437 10.475 10.112 1.00 0.00 H new ATOM 0 HE3 TRP A 176 87.717 7.005 6.046 1.00 0.00 H new ATOM 0 HZ2 TRP A 176 89.269 8.301 10.585 1.00 0.00 H new ATOM 0 HZ3 TRP A 176 89.383 5.611 7.239 1.00 0.00 H new ATOM 0 HH2 TRP A 176 90.161 6.254 9.504 1.00 0.00 H new ATOM 102 N LEU A 177 82.962 10.012 4.492 1.00 0.00 N ATOM 103 CA LEU A 177 81.823 10.953 4.250 1.00 0.00 C ATOM 104 C LEU A 177 80.531 10.393 4.826 1.00 0.00 C ATOM 105 O LEU A 177 79.752 11.106 5.416 1.00 0.00 O ATOM 106 CB LEU A 177 81.668 11.269 2.749 1.00 0.00 C ATOM 107 CG LEU A 177 81.104 10.052 1.959 1.00 0.00 C ATOM 108 CD1 LEU A 177 79.583 10.176 1.770 1.00 0.00 C ATOM 109 CD2 LEU A 177 81.753 9.980 0.567 1.00 0.00 C ATOM 0 H LEU A 177 83.428 9.659 3.656 1.00 0.00 H new ATOM 0 HA LEU A 177 82.046 11.889 4.762 1.00 0.00 H new ATOM 0 HB2 LEU A 177 81.003 12.124 2.624 1.00 0.00 H new ATOM 0 HB3 LEU A 177 82.635 11.554 2.336 1.00 0.00 H new ATOM 0 HG LEU A 177 81.330 9.153 2.533 1.00 0.00 H new ATOM 0 HD11 LEU A 177 79.214 9.313 1.215 1.00 0.00 H new ATOM 0 HD12 LEU A 177 79.097 10.215 2.745 1.00 0.00 H new ATOM 0 HD13 LEU A 177 79.358 11.087 1.216 1.00 0.00 H new ATOM 0 HD21 LEU A 177 81.352 9.125 0.022 1.00 0.00 H new ATOM 0 HD22 LEU A 177 81.536 10.895 0.017 1.00 0.00 H new ATOM 0 HD23 LEU A 177 82.832 9.868 0.674 1.00 0.00 H new ATOM 121 N SER A 178 80.336 9.100 4.664 1.00 0.00 N ATOM 122 CA SER A 178 79.110 8.427 5.191 1.00 0.00 C ATOM 123 C SER A 178 79.023 8.597 6.712 1.00 0.00 C ATOM 124 O SER A 178 77.964 8.785 7.259 1.00 0.00 O ATOM 125 CB SER A 178 79.104 6.939 4.798 1.00 0.00 C ATOM 126 OG SER A 178 79.939 6.758 3.662 1.00 0.00 O ATOM 0 H SER A 178 80.986 8.479 4.182 1.00 0.00 H new ATOM 0 HA SER A 178 78.232 8.896 4.747 1.00 0.00 H new ATOM 0 HB2 SER A 178 79.460 6.329 5.628 1.00 0.00 H new ATOM 0 HB3 SER A 178 78.088 6.612 4.575 1.00 0.00 H new ATOM 0 HG SER A 178 79.942 5.812 3.406 1.00 0.00 H new ATOM 132 N LEU A 179 80.159 8.500 7.374 1.00 0.00 N ATOM 133 CA LEU A 179 80.228 8.638 8.861 1.00 0.00 C ATOM 134 C LEU A 179 79.723 10.006 9.357 1.00 0.00 C ATOM 135 O LEU A 179 79.123 10.092 10.410 1.00 0.00 O ATOM 136 CB LEU A 179 81.673 8.432 9.332 1.00 0.00 C ATOM 137 CG LEU A 179 81.706 8.135 10.849 1.00 0.00 C ATOM 138 CD1 LEU A 179 81.540 6.631 11.102 1.00 0.00 C ATOM 139 CD2 LEU A 179 83.048 8.588 11.437 1.00 0.00 C ATOM 0 H LEU A 179 81.060 8.327 6.929 1.00 0.00 H new ATOM 0 HA LEU A 179 79.573 7.875 9.282 1.00 0.00 H new ATOM 0 HB2 LEU A 179 82.127 7.607 8.783 1.00 0.00 H new ATOM 0 HB3 LEU A 179 82.264 9.322 9.116 1.00 0.00 H new ATOM 0 HG LEU A 179 80.888 8.676 11.324 1.00 0.00 H new ATOM 0 HD11 LEU A 179 81.565 6.437 12.174 1.00 0.00 H new ATOM 0 HD12 LEU A 179 80.586 6.297 10.695 1.00 0.00 H new ATOM 0 HD13 LEU A 179 82.351 6.089 10.616 1.00 0.00 H new ATOM 0 HD21 LEU A 179 83.067 8.377 12.506 1.00 0.00 H new ATOM 0 HD22 LEU A 179 83.860 8.051 10.947 1.00 0.00 H new ATOM 0 HD23 LEU A 179 83.173 9.659 11.277 1.00 0.00 H new ATOM 151 N LEU A 180 80.050 11.077 8.631 1.00 0.00 N ATOM 152 CA LEU A 180 79.692 12.468 9.077 1.00 0.00 C ATOM 153 C LEU A 180 78.186 12.709 9.254 1.00 0.00 C ATOM 154 O LEU A 180 77.803 13.405 10.152 1.00 0.00 O ATOM 155 CB LEU A 180 80.223 13.484 8.050 1.00 0.00 C ATOM 156 CG LEU A 180 80.255 14.892 8.665 1.00 0.00 C ATOM 157 CD1 LEU A 180 81.298 14.972 9.803 1.00 0.00 C ATOM 158 CD2 LEU A 180 80.590 15.915 7.569 1.00 0.00 C ATOM 0 H LEU A 180 80.553 11.034 7.745 1.00 0.00 H new ATOM 0 HA LEU A 180 80.152 12.593 10.057 1.00 0.00 H new ATOM 0 HB2 LEU A 180 81.224 13.197 7.728 1.00 0.00 H new ATOM 0 HB3 LEU A 180 79.589 13.481 7.163 1.00 0.00 H new ATOM 0 HG LEU A 180 79.276 15.115 9.089 1.00 0.00 H new ATOM 0 HD11 LEU A 180 81.302 15.978 10.223 1.00 0.00 H new ATOM 0 HD12 LEU A 180 81.042 14.255 10.583 1.00 0.00 H new ATOM 0 HD13 LEU A 180 82.287 14.740 9.407 1.00 0.00 H new ATOM 0 HD21 LEU A 180 80.614 16.916 8.000 1.00 0.00 H new ATOM 0 HD22 LEU A 180 81.564 15.682 7.139 1.00 0.00 H new ATOM 0 HD23 LEU A 180 79.830 15.874 6.789 1.00 0.00 H new ATOM 170 N LEU A 181 77.359 12.181 8.369 1.00 0.00 N ATOM 171 CA LEU A 181 75.860 12.382 8.449 1.00 0.00 C ATOM 172 C LEU A 181 75.187 11.846 9.740 1.00 0.00 C ATOM 173 O LEU A 181 74.216 12.413 10.195 1.00 0.00 O ATOM 174 CB LEU A 181 75.123 11.819 7.199 1.00 0.00 C ATOM 175 CG LEU A 181 75.788 10.530 6.668 1.00 0.00 C ATOM 176 CD1 LEU A 181 75.361 9.297 7.498 1.00 0.00 C ATOM 177 CD2 LEU A 181 75.403 10.327 5.192 1.00 0.00 C ATOM 0 H LEU A 181 77.663 11.609 7.581 1.00 0.00 H new ATOM 0 HA LEU A 181 75.754 13.466 8.480 1.00 0.00 H new ATOM 0 HB2 LEU A 181 74.083 11.612 7.453 1.00 0.00 H new ATOM 0 HB3 LEU A 181 75.115 12.573 6.412 1.00 0.00 H new ATOM 0 HG LEU A 181 76.869 10.637 6.757 1.00 0.00 H new ATOM 0 HD11 LEU A 181 75.845 8.405 7.100 1.00 0.00 H new ATOM 0 HD12 LEU A 181 75.657 9.438 8.537 1.00 0.00 H new ATOM 0 HD13 LEU A 181 74.279 9.178 7.442 1.00 0.00 H new ATOM 0 HD21 LEU A 181 75.871 9.418 4.816 1.00 0.00 H new ATOM 0 HD22 LEU A 181 74.320 10.239 5.107 1.00 0.00 H new ATOM 0 HD23 LEU A 181 75.745 11.180 4.606 1.00 0.00 H new ATOM 189 N LEU A 182 75.623 10.680 10.226 1.00 0.00 N ATOM 190 CA LEU A 182 74.918 9.988 11.390 1.00 0.00 C ATOM 191 C LEU A 182 74.850 10.809 12.697 1.00 0.00 C ATOM 192 O LEU A 182 73.832 10.789 13.355 1.00 0.00 O ATOM 193 CB LEU A 182 75.612 8.601 11.643 1.00 0.00 C ATOM 194 CG LEU A 182 75.613 8.185 13.134 1.00 0.00 C ATOM 195 CD1 LEU A 182 74.185 8.198 13.729 1.00 0.00 C ATOM 196 CD2 LEU A 182 76.216 6.776 13.243 1.00 0.00 C ATOM 0 H LEU A 182 76.436 10.180 9.866 1.00 0.00 H new ATOM 0 HA LEU A 182 73.876 9.864 11.094 1.00 0.00 H new ATOM 0 HB2 LEU A 182 75.103 7.835 11.059 1.00 0.00 H new ATOM 0 HB3 LEU A 182 76.640 8.645 11.284 1.00 0.00 H new ATOM 0 HG LEU A 182 76.207 8.901 13.702 1.00 0.00 H new ATOM 0 HD11 LEU A 182 74.225 7.901 14.777 1.00 0.00 H new ATOM 0 HD12 LEU A 182 73.768 9.202 13.652 1.00 0.00 H new ATOM 0 HD13 LEU A 182 73.555 7.500 13.178 1.00 0.00 H new ATOM 0 HD21 LEU A 182 76.226 6.464 14.287 1.00 0.00 H new ATOM 0 HD22 LEU A 182 75.615 6.077 12.661 1.00 0.00 H new ATOM 0 HD23 LEU A 182 77.236 6.786 12.858 1.00 0.00 H new ATOM 208 N PRO A 183 75.866 11.508 13.083 1.00 0.00 N ATOM 209 CA PRO A 183 75.839 12.323 14.333 1.00 0.00 C ATOM 210 C PRO A 183 75.197 13.742 14.256 1.00 0.00 C ATOM 211 O PRO A 183 74.951 14.312 15.301 1.00 0.00 O ATOM 212 CB PRO A 183 77.327 12.406 14.708 1.00 0.00 C ATOM 213 CG PRO A 183 78.071 12.315 13.405 1.00 0.00 C ATOM 214 CD PRO A 183 77.159 11.556 12.423 1.00 0.00 C ATOM 0 HA PRO A 183 75.185 11.848 15.064 1.00 0.00 H new ATOM 0 HB2 PRO A 183 77.551 13.340 15.224 1.00 0.00 H new ATOM 0 HB3 PRO A 183 77.609 11.595 15.379 1.00 0.00 H new ATOM 0 HG2 PRO A 183 78.306 13.309 13.024 1.00 0.00 H new ATOM 0 HG3 PRO A 183 79.018 11.791 13.536 1.00 0.00 H new ATOM 0 HD2 PRO A 183 77.095 12.070 11.464 1.00 0.00 H new ATOM 0 HD3 PRO A 183 77.539 10.554 12.223 1.00 0.00 H new ATOM 222 N ILE A 184 74.925 14.348 13.071 1.00 0.00 N ATOM 223 CA ILE A 184 74.323 15.725 13.100 1.00 0.00 C ATOM 224 C ILE A 184 72.861 15.719 13.595 1.00 0.00 C ATOM 225 O ILE A 184 72.441 16.660 14.239 1.00 0.00 O ATOM 226 CB ILE A 184 74.459 16.514 11.750 1.00 0.00 C ATOM 227 CG1 ILE A 184 75.402 15.821 10.750 1.00 0.00 C ATOM 228 CG2 ILE A 184 74.991 17.926 12.046 1.00 0.00 C ATOM 229 CD1 ILE A 184 76.801 15.614 11.335 1.00 0.00 C ATOM 0 H ILE A 184 75.093 13.951 12.146 1.00 0.00 H new ATOM 0 HA ILE A 184 74.923 16.269 13.829 1.00 0.00 H new ATOM 0 HB ILE A 184 73.470 16.553 11.293 1.00 0.00 H new ATOM 0 HG12 ILE A 184 74.982 14.857 10.463 1.00 0.00 H new ATOM 0 HG13 ILE A 184 75.473 16.421 9.842 1.00 0.00 H new ATOM 0 HG21 ILE A 184 75.088 18.481 11.113 1.00 0.00 H new ATOM 0 HG22 ILE A 184 74.297 18.445 12.706 1.00 0.00 H new ATOM 0 HG23 ILE A 184 75.966 17.854 12.529 1.00 0.00 H new ATOM 0 HD11 ILE A 184 77.435 15.122 10.597 1.00 0.00 H new ATOM 0 HD12 ILE A 184 77.232 16.580 11.597 1.00 0.00 H new ATOM 0 HD13 ILE A 184 76.734 14.992 12.228 1.00 0.00 H new ATOM 573 N GLY B 175 73.312 3.589 -1.035 1.00 0.00 N ATOM 574 CA GLY B 175 72.152 4.517 -1.144 1.00 0.00 C ATOM 575 C GLY B 175 71.606 4.974 0.219 1.00 0.00 C ATOM 576 O GLY B 175 71.219 6.116 0.356 1.00 0.00 O ATOM 0 HA2 GLY B 175 72.450 5.393 -1.720 1.00 0.00 H new ATOM 0 HA3 GLY B 175 71.354 4.026 -1.701 1.00 0.00 H new ATOM 580 N TRP B 176 71.532 4.077 1.212 1.00 0.00 N ATOM 581 CA TRP B 176 70.959 4.479 2.536 1.00 0.00 C ATOM 582 C TRP B 176 71.726 5.618 3.217 1.00 0.00 C ATOM 583 O TRP B 176 71.116 6.489 3.803 1.00 0.00 O ATOM 584 CB TRP B 176 70.922 3.278 3.488 1.00 0.00 C ATOM 585 CG TRP B 176 70.154 2.152 2.870 1.00 0.00 C ATOM 586 CD1 TRP B 176 70.675 0.944 2.570 1.00 0.00 C ATOM 587 CD2 TRP B 176 68.746 2.098 2.485 1.00 0.00 C ATOM 588 NE1 TRP B 176 69.688 0.153 2.011 1.00 0.00 N ATOM 589 CE2 TRP B 176 68.481 0.819 1.938 1.00 0.00 C ATOM 590 CE3 TRP B 176 67.687 3.021 2.551 1.00 0.00 C ATOM 591 CZ2 TRP B 176 67.212 0.469 1.474 1.00 0.00 C ATOM 592 CZ3 TRP B 176 66.407 2.672 2.084 1.00 0.00 C ATOM 593 CH2 TRP B 176 66.172 1.398 1.546 1.00 0.00 C ATOM 0 H TRP B 176 71.842 3.107 1.147 1.00 0.00 H new ATOM 0 HA TRP B 176 69.953 4.841 2.324 1.00 0.00 H new ATOM 0 HB2 TRP B 176 71.937 2.954 3.715 1.00 0.00 H new ATOM 0 HB3 TRP B 176 70.461 3.567 4.432 1.00 0.00 H new ATOM 0 HD1 TRP B 176 71.698 0.643 2.739 1.00 0.00 H new ATOM 0 HE1 TRP B 176 69.834 -0.805 1.692 1.00 0.00 H new ATOM 0 HE3 TRP B 176 67.858 4.005 2.963 1.00 0.00 H new ATOM 0 HZ2 TRP B 176 67.036 -0.514 1.062 1.00 0.00 H new ATOM 0 HZ3 TRP B 176 65.601 3.389 2.140 1.00 0.00 H new ATOM 0 HH2 TRP B 176 65.187 1.136 1.188 1.00 0.00 H new ATOM 604 N LEU B 177 73.060 5.608 3.158 1.00 0.00 N ATOM 605 CA LEU B 177 73.837 6.696 3.829 1.00 0.00 C ATOM 606 C LEU B 177 73.480 8.066 3.250 1.00 0.00 C ATOM 607 O LEU B 177 73.329 9.025 3.969 1.00 0.00 O ATOM 608 CB LEU B 177 75.352 6.425 3.735 1.00 0.00 C ATOM 609 CG LEU B 177 75.887 6.672 2.295 1.00 0.00 C ATOM 610 CD1 LEU B 177 76.532 8.061 2.195 1.00 0.00 C ATOM 611 CD2 LEU B 177 76.942 5.618 1.907 1.00 0.00 C ATOM 0 H LEU B 177 73.620 4.901 2.680 1.00 0.00 H new ATOM 0 HA LEU B 177 73.564 6.705 4.884 1.00 0.00 H new ATOM 0 HB2 LEU B 177 75.882 7.069 4.437 1.00 0.00 H new ATOM 0 HB3 LEU B 177 75.558 5.396 4.029 1.00 0.00 H new ATOM 0 HG LEU B 177 75.037 6.602 1.616 1.00 0.00 H new ATOM 0 HD11 LEU B 177 76.901 8.219 1.182 1.00 0.00 H new ATOM 0 HD12 LEU B 177 75.791 8.824 2.434 1.00 0.00 H new ATOM 0 HD13 LEU B 177 77.362 8.128 2.898 1.00 0.00 H new ATOM 0 HD21 LEU B 177 77.298 5.815 0.896 1.00 0.00 H new ATOM 0 HD22 LEU B 177 77.779 5.668 2.603 1.00 0.00 H new ATOM 0 HD23 LEU B 177 76.496 4.624 1.947 1.00 0.00 H new ATOM 623 N SER B 178 73.318 8.118 1.939 1.00 0.00 N ATOM 624 CA SER B 178 72.948 9.392 1.239 1.00 0.00 C ATOM 625 C SER B 178 71.606 9.921 1.758 1.00 0.00 C ATOM 626 O SER B 178 71.415 11.101 1.912 1.00 0.00 O ATOM 627 CB SER B 178 72.919 9.195 -0.289 1.00 0.00 C ATOM 628 OG SER B 178 72.665 7.827 -0.582 1.00 0.00 O ATOM 0 H SER B 178 73.430 7.315 1.320 1.00 0.00 H new ATOM 0 HA SER B 178 73.712 10.138 1.459 1.00 0.00 H new ATOM 0 HB2 SER B 178 72.147 9.823 -0.734 1.00 0.00 H new ATOM 0 HB3 SER B 178 73.870 9.502 -0.725 1.00 0.00 H new ATOM 0 HG SER B 178 71.810 7.560 -0.183 1.00 0.00 H new ATOM 634 N LEU B 179 70.675 9.031 2.003 1.00 0.00 N ATOM 635 CA LEU B 179 69.332 9.441 2.501 1.00 0.00 C ATOM 636 C LEU B 179 69.455 10.191 3.840 1.00 0.00 C ATOM 637 O LEU B 179 68.714 11.112 4.092 1.00 0.00 O ATOM 638 CB LEU B 179 68.417 8.203 2.656 1.00 0.00 C ATOM 639 CG LEU B 179 67.605 7.960 1.371 1.00 0.00 C ATOM 640 CD1 LEU B 179 68.537 7.530 0.233 1.00 0.00 C ATOM 641 CD2 LEU B 179 66.580 6.854 1.624 1.00 0.00 C ATOM 0 H LEU B 179 70.794 8.026 1.876 1.00 0.00 H new ATOM 0 HA LEU B 179 68.885 10.116 1.772 1.00 0.00 H new ATOM 0 HB2 LEU B 179 69.021 7.324 2.881 1.00 0.00 H new ATOM 0 HB3 LEU B 179 67.740 8.349 3.498 1.00 0.00 H new ATOM 0 HG LEU B 179 67.098 8.883 1.090 1.00 0.00 H new ATOM 0 HD11 LEU B 179 67.953 7.361 -0.671 1.00 0.00 H new ATOM 0 HD12 LEU B 179 69.272 8.314 0.049 1.00 0.00 H new ATOM 0 HD13 LEU B 179 69.050 6.609 0.511 1.00 0.00 H new ATOM 0 HD21 LEU B 179 66.003 6.679 0.716 1.00 0.00 H new ATOM 0 HD22 LEU B 179 67.097 5.937 1.908 1.00 0.00 H new ATOM 0 HD23 LEU B 179 65.909 7.157 2.428 1.00 0.00 H new ATOM 653 N LEU B 180 70.353 9.734 4.707 1.00 0.00 N ATOM 654 CA LEU B 180 70.515 10.339 6.075 1.00 0.00 C ATOM 655 C LEU B 180 70.886 11.842 6.062 1.00 0.00 C ATOM 656 O LEU B 180 70.438 12.569 6.912 1.00 0.00 O ATOM 657 CB LEU B 180 71.611 9.550 6.831 1.00 0.00 C ATOM 658 CG LEU B 180 71.365 9.540 8.365 1.00 0.00 C ATOM 659 CD1 LEU B 180 71.911 8.238 8.994 1.00 0.00 C ATOM 660 CD2 LEU B 180 72.028 10.763 9.024 1.00 0.00 C ATOM 0 H LEU B 180 70.985 8.957 4.514 1.00 0.00 H new ATOM 0 HA LEU B 180 69.546 10.271 6.570 1.00 0.00 H new ATOM 0 HB2 LEU B 180 71.640 8.525 6.462 1.00 0.00 H new ATOM 0 HB3 LEU B 180 72.585 9.992 6.623 1.00 0.00 H new ATOM 0 HG LEU B 180 70.290 9.587 8.539 1.00 0.00 H new ATOM 0 HD11 LEU B 180 71.730 8.249 10.069 1.00 0.00 H new ATOM 0 HD12 LEU B 180 71.407 7.380 8.550 1.00 0.00 H new ATOM 0 HD13 LEU B 180 72.982 8.165 8.808 1.00 0.00 H new ATOM 0 HD21 LEU B 180 71.846 10.741 10.098 1.00 0.00 H new ATOM 0 HD22 LEU B 180 73.102 10.740 8.837 1.00 0.00 H new ATOM 0 HD23 LEU B 180 71.606 11.676 8.604 1.00 0.00 H new ATOM 672 N LEU B 181 71.755 12.279 5.156 1.00 0.00 N ATOM 673 CA LEU B 181 72.191 13.732 5.104 1.00 0.00 C ATOM 674 C LEU B 181 71.042 14.753 4.848 1.00 0.00 C ATOM 675 O LEU B 181 71.070 15.849 5.371 1.00 0.00 O ATOM 676 CB LEU B 181 73.364 13.960 4.094 1.00 0.00 C ATOM 677 CG LEU B 181 73.327 12.972 2.898 1.00 0.00 C ATOM 678 CD1 LEU B 181 72.404 13.504 1.791 1.00 0.00 C ATOM 679 CD2 LEU B 181 74.747 12.774 2.325 1.00 0.00 C ATOM 0 H LEU B 181 72.183 11.685 4.446 1.00 0.00 H new ATOM 0 HA LEU B 181 72.549 13.935 6.113 1.00 0.00 H new ATOM 0 HB2 LEU B 181 73.320 14.982 3.717 1.00 0.00 H new ATOM 0 HB3 LEU B 181 74.314 13.854 4.618 1.00 0.00 H new ATOM 0 HG LEU B 181 72.944 12.017 3.257 1.00 0.00 H new ATOM 0 HD11 LEU B 181 72.389 12.799 0.960 1.00 0.00 H new ATOM 0 HD12 LEU B 181 71.394 13.622 2.185 1.00 0.00 H new ATOM 0 HD13 LEU B 181 72.773 14.469 1.442 1.00 0.00 H new ATOM 0 HD21 LEU B 181 74.707 12.079 1.487 1.00 0.00 H new ATOM 0 HD22 LEU B 181 75.138 13.732 1.984 1.00 0.00 H new ATOM 0 HD23 LEU B 181 75.399 12.371 3.100 1.00 0.00 H new ATOM 691 N LEU B 182 70.106 14.408 3.961 1.00 0.00 N ATOM 692 CA LEU B 182 68.988 15.368 3.531 1.00 0.00 C ATOM 693 C LEU B 182 68.071 15.869 4.675 1.00 0.00 C ATOM 694 O LEU B 182 67.683 17.021 4.664 1.00 0.00 O ATOM 695 CB LEU B 182 68.142 14.705 2.377 1.00 0.00 C ATOM 696 CG LEU B 182 66.616 14.772 2.620 1.00 0.00 C ATOM 697 CD1 LEU B 182 66.117 16.239 2.619 1.00 0.00 C ATOM 698 CD2 LEU B 182 65.915 13.969 1.513 1.00 0.00 C ATOM 0 H LEU B 182 70.066 13.494 3.510 1.00 0.00 H new ATOM 0 HA LEU B 182 69.487 16.269 3.173 1.00 0.00 H new ATOM 0 HB2 LEU B 182 68.375 15.201 1.435 1.00 0.00 H new ATOM 0 HB3 LEU B 182 68.440 13.662 2.271 1.00 0.00 H new ATOM 0 HG LEU B 182 66.384 14.348 3.597 1.00 0.00 H new ATOM 0 HD11 LEU B 182 65.041 16.257 2.792 1.00 0.00 H new ATOM 0 HD12 LEU B 182 66.621 16.795 3.409 1.00 0.00 H new ATOM 0 HD13 LEU B 182 66.337 16.698 1.655 1.00 0.00 H new ATOM 0 HD21 LEU B 182 64.836 14.003 1.666 1.00 0.00 H new ATOM 0 HD22 LEU B 182 66.158 14.400 0.542 1.00 0.00 H new ATOM 0 HD23 LEU B 182 66.253 12.933 1.545 1.00 0.00 H new ATOM 710 N PRO B 183 67.696 15.050 5.608 1.00 0.00 N ATOM 711 CA PRO B 183 66.798 15.443 6.747 1.00 0.00 C ATOM 712 C PRO B 183 67.373 16.360 7.863 1.00 0.00 C ATOM 713 O PRO B 183 66.597 17.082 8.445 1.00 0.00 O ATOM 714 CB PRO B 183 66.349 14.084 7.345 1.00 0.00 C ATOM 715 CG PRO B 183 66.829 13.040 6.381 1.00 0.00 C ATOM 716 CD PRO B 183 68.032 13.650 5.675 1.00 0.00 C ATOM 0 HA PRO B 183 66.010 16.080 6.345 1.00 0.00 H new ATOM 0 HB2 PRO B 183 66.779 13.930 8.335 1.00 0.00 H new ATOM 0 HB3 PRO B 183 65.266 14.044 7.458 1.00 0.00 H new ATOM 0 HG2 PRO B 183 67.105 12.123 6.902 1.00 0.00 H new ATOM 0 HG3 PRO B 183 66.048 12.778 5.667 1.00 0.00 H new ATOM 0 HD2 PRO B 183 68.954 13.483 6.232 1.00 0.00 H new ATOM 0 HD3 PRO B 183 68.177 13.222 4.683 1.00 0.00 H new ATOM 724 N ILE B 184 68.677 16.359 8.225 1.00 0.00 N ATOM 725 CA ILE B 184 69.071 17.274 9.341 1.00 0.00 C ATOM 726 C ILE B 184 69.016 18.750 8.926 1.00 0.00 C ATOM 727 O ILE B 184 68.640 19.583 9.717 1.00 0.00 O ATOM 728 CB ILE B 184 70.439 16.926 9.977 1.00 0.00 C ATOM 729 CG1 ILE B 184 70.564 15.414 10.197 1.00 0.00 C ATOM 730 CG2 ILE B 184 70.516 17.615 11.350 1.00 0.00 C ATOM 731 CD1 ILE B 184 70.708 14.661 8.863 1.00 0.00 C ATOM 0 H ILE B 184 69.420 15.795 7.812 1.00 0.00 H new ATOM 0 HA ILE B 184 68.322 17.113 10.117 1.00 0.00 H new ATOM 0 HB ILE B 184 71.237 17.259 9.313 1.00 0.00 H new ATOM 0 HG12 ILE B 184 71.428 15.207 10.828 1.00 0.00 H new ATOM 0 HG13 ILE B 184 69.686 15.049 10.729 1.00 0.00 H new ATOM 0 HG21 ILE B 184 71.472 17.385 11.819 1.00 0.00 H new ATOM 0 HG22 ILE B 184 70.425 18.694 11.221 1.00 0.00 H new ATOM 0 HG23 ILE B 184 69.705 17.256 11.983 1.00 0.00 H new ATOM 0 HD11 ILE B 184 70.794 13.592 9.056 1.00 0.00 H new ATOM 0 HD12 ILE B 184 69.831 14.848 8.243 1.00 0.00 H new ATOM 0 HD13 ILE B 184 71.601 15.009 8.343 1.00 0.00 H new ATOM 743 N PRO B 185 69.383 19.080 7.712 1.00 0.00 N ATOM 744 CA PRO B 185 69.371 20.496 7.215 1.00 0.00 C ATOM 745 C PRO B 185 68.067 21.263 7.492 1.00 0.00 C ATOM 746 O PRO B 185 68.065 22.478 7.464 1.00 0.00 O ATOM 747 CB PRO B 185 69.593 20.347 5.703 1.00 0.00 C ATOM 748 CG PRO B 185 70.358 19.077 5.555 1.00 0.00 C ATOM 749 CD PRO B 185 69.853 18.156 6.668 1.00 0.00 C ATOM 0 HA PRO B 185 70.128 21.086 7.731 1.00 0.00 H new ATOM 0 HB2 PRO B 185 68.645 20.303 5.166 1.00 0.00 H new ATOM 0 HB3 PRO B 185 70.149 21.193 5.299 1.00 0.00 H new ATOM 0 HG2 PRO B 185 70.192 18.632 4.574 1.00 0.00 H new ATOM 0 HG3 PRO B 185 71.430 19.253 5.648 1.00 0.00 H new ATOM 0 HD2 PRO B 185 69.049 17.509 6.316 1.00 0.00 H new ATOM 0 HD3 PRO B 185 70.646 17.506 7.038 1.00 0.00 H new ATOM 1075 N GLY C 175 79.765 12.521 -5.720 1.00 0.00 N ATOM 1076 CA GLY C 175 80.431 13.578 -4.915 1.00 0.00 C ATOM 1077 C GLY C 175 79.406 14.502 -4.240 1.00 0.00 C ATOM 1078 O GLY C 175 79.612 14.934 -3.124 1.00 0.00 O ATOM 0 HA2 GLY C 175 81.061 13.115 -4.155 1.00 0.00 H new ATOM 0 HA3 GLY C 175 81.086 14.167 -5.557 1.00 0.00 H new ATOM 1082 N TRP C 176 78.325 14.843 -4.956 1.00 0.00 N ATOM 1083 CA TRP C 176 77.303 15.786 -4.406 1.00 0.00 C ATOM 1084 C TRP C 176 76.642 15.296 -3.111 1.00 0.00 C ATOM 1085 O TRP C 176 76.418 16.091 -2.219 1.00 0.00 O ATOM 1086 CB TRP C 176 76.220 16.026 -5.462 1.00 0.00 C ATOM 1087 CG TRP C 176 75.192 16.972 -4.925 1.00 0.00 C ATOM 1088 CD1 TRP C 176 75.336 18.316 -4.852 1.00 0.00 C ATOM 1089 CD2 TRP C 176 73.872 16.670 -4.387 1.00 0.00 C ATOM 1090 NE1 TRP C 176 74.187 18.857 -4.303 1.00 0.00 N ATOM 1091 CE2 TRP C 176 73.256 17.884 -4.000 1.00 0.00 C ATOM 1092 CE3 TRP C 176 73.158 15.474 -4.200 1.00 0.00 C ATOM 1093 CZ2 TRP C 176 71.976 17.909 -3.446 1.00 0.00 C ATOM 1094 CZ3 TRP C 176 71.869 15.495 -3.643 1.00 0.00 C ATOM 1095 CH2 TRP C 176 71.279 16.710 -3.267 1.00 0.00 C ATOM 0 H TRP C 176 78.125 14.498 -5.895 1.00 0.00 H new ATOM 0 HA TRP C 176 77.831 16.707 -4.158 1.00 0.00 H new ATOM 0 HB2 TRP C 176 76.667 16.435 -6.368 1.00 0.00 H new ATOM 0 HB3 TRP C 176 75.751 15.081 -5.737 1.00 0.00 H new ATOM 0 HD1 TRP C 176 76.204 18.874 -5.170 1.00 0.00 H new ATOM 0 HE1 TRP C 176 74.045 19.854 -4.142 1.00 0.00 H new ATOM 0 HE3 TRP C 176 73.603 14.533 -4.486 1.00 0.00 H new ATOM 0 HZ2 TRP C 176 71.527 18.848 -3.157 1.00 0.00 H new ATOM 0 HZ3 TRP C 176 71.329 14.570 -3.504 1.00 0.00 H new ATOM 0 HH2 TRP C 176 70.287 16.720 -2.840 1.00 0.00 H new ATOM 1106 N LEU C 177 76.322 14.006 -2.994 1.00 0.00 N ATOM 1107 CA LEU C 177 75.674 13.535 -1.730 1.00 0.00 C ATOM 1108 C LEU C 177 76.600 13.807 -0.550 1.00 0.00 C ATOM 1109 O LEU C 177 76.179 14.241 0.497 1.00 0.00 O ATOM 1110 CB LEU C 177 75.308 12.037 -1.818 1.00 0.00 C ATOM 1111 CG LEU C 177 76.570 11.133 -1.733 1.00 0.00 C ATOM 1112 CD1 LEU C 177 76.823 10.657 -0.293 1.00 0.00 C ATOM 1113 CD2 LEU C 177 76.389 9.896 -2.626 1.00 0.00 C ATOM 0 H LEU C 177 76.481 13.291 -3.704 1.00 0.00 H new ATOM 0 HA LEU C 177 74.745 14.086 -1.583 1.00 0.00 H new ATOM 0 HB2 LEU C 177 74.622 11.782 -1.010 1.00 0.00 H new ATOM 0 HB3 LEU C 177 74.784 11.844 -2.754 1.00 0.00 H new ATOM 0 HG LEU C 177 77.421 11.726 -2.067 1.00 0.00 H new ATOM 0 HD11 LEU C 177 77.712 10.027 -0.269 1.00 0.00 H new ATOM 0 HD12 LEU C 177 76.972 11.521 0.355 1.00 0.00 H new ATOM 0 HD13 LEU C 177 75.964 10.085 0.057 1.00 0.00 H new ATOM 0 HD21 LEU C 177 77.277 9.267 -2.561 1.00 0.00 H new ATOM 0 HD22 LEU C 177 75.519 9.330 -2.292 1.00 0.00 H new ATOM 0 HD23 LEU C 177 76.242 10.211 -3.659 1.00 0.00 H new ATOM 1125 N SER C 178 77.877 13.569 -0.777 1.00 0.00 N ATOM 1126 CA SER C 178 78.934 13.801 0.256 1.00 0.00 C ATOM 1127 C SER C 178 78.966 15.270 0.692 1.00 0.00 C ATOM 1128 O SER C 178 79.182 15.577 1.839 1.00 0.00 O ATOM 1129 CB SER C 178 80.302 13.374 -0.283 1.00 0.00 C ATOM 1130 OG SER C 178 80.920 14.477 -0.932 1.00 0.00 O ATOM 0 H SER C 178 78.234 13.213 -1.664 1.00 0.00 H new ATOM 0 HA SER C 178 78.694 13.196 1.130 1.00 0.00 H new ATOM 0 HB2 SER C 178 80.932 13.019 0.533 1.00 0.00 H new ATOM 0 HB3 SER C 178 80.187 12.545 -0.981 1.00 0.00 H new ATOM 0 HG SER C 178 80.600 14.534 -1.856 1.00 0.00 H new ATOM 1136 N LEU C 179 78.793 16.169 -0.255 1.00 0.00 N ATOM 1137 CA LEU C 179 78.840 17.633 0.040 1.00 0.00 C ATOM 1138 C LEU C 179 77.766 18.054 1.068 1.00 0.00 C ATOM 1139 O LEU C 179 78.011 18.917 1.888 1.00 0.00 O ATOM 1140 CB LEU C 179 78.651 18.422 -1.284 1.00 0.00 C ATOM 1141 CG LEU C 179 79.973 19.060 -1.744 1.00 0.00 C ATOM 1142 CD1 LEU C 179 80.952 17.969 -2.184 1.00 0.00 C ATOM 1143 CD2 LEU C 179 79.697 19.994 -2.925 1.00 0.00 C ATOM 0 H LEU C 179 78.619 15.941 -1.234 1.00 0.00 H new ATOM 0 HA LEU C 179 79.811 17.861 0.480 1.00 0.00 H new ATOM 0 HB2 LEU C 179 78.278 17.753 -2.059 1.00 0.00 H new ATOM 0 HB3 LEU C 179 77.899 19.198 -1.144 1.00 0.00 H new ATOM 0 HG LEU C 179 80.408 19.623 -0.918 1.00 0.00 H new ATOM 0 HD11 LEU C 179 81.886 18.428 -2.509 1.00 0.00 H new ATOM 0 HD12 LEU C 179 81.149 17.298 -1.348 1.00 0.00 H new ATOM 0 HD13 LEU C 179 80.520 17.403 -3.009 1.00 0.00 H new ATOM 0 HD21 LEU C 179 80.631 20.449 -3.255 1.00 0.00 H new ATOM 0 HD22 LEU C 179 79.261 19.424 -3.746 1.00 0.00 H new ATOM 0 HD23 LEU C 179 79.002 20.775 -2.617 1.00 0.00 H new ATOM 1155 N LEU C 180 76.565 17.486 0.967 1.00 0.00 N ATOM 1156 CA LEU C 180 75.433 17.885 1.871 1.00 0.00 C ATOM 1157 C LEU C 180 75.713 17.668 3.369 1.00 0.00 C ATOM 1158 O LEU C 180 75.301 18.472 4.177 1.00 0.00 O ATOM 1159 CB LEU C 180 74.164 17.114 1.483 1.00 0.00 C ATOM 1160 CG LEU C 180 72.922 17.833 2.030 1.00 0.00 C ATOM 1161 CD1 LEU C 180 72.720 19.199 1.332 1.00 0.00 C ATOM 1162 CD2 LEU C 180 71.691 16.948 1.808 1.00 0.00 C ATOM 0 H LEU C 180 76.331 16.760 0.290 1.00 0.00 H new ATOM 0 HA LEU C 180 75.305 18.958 1.731 1.00 0.00 H new ATOM 0 HB2 LEU C 180 74.097 17.030 0.398 1.00 0.00 H new ATOM 0 HB3 LEU C 180 74.210 16.099 1.879 1.00 0.00 H new ATOM 0 HG LEU C 180 73.062 18.015 3.095 1.00 0.00 H new ATOM 0 HD11 LEU C 180 71.834 19.687 1.738 1.00 0.00 H new ATOM 0 HD12 LEU C 180 73.593 19.829 1.505 1.00 0.00 H new ATOM 0 HD13 LEU C 180 72.591 19.045 0.261 1.00 0.00 H new ATOM 0 HD21 LEU C 180 70.806 17.453 2.194 1.00 0.00 H new ATOM 0 HD22 LEU C 180 71.565 16.760 0.742 1.00 0.00 H new ATOM 0 HD23 LEU C 180 71.825 16.001 2.330 1.00 0.00 H new ATOM 1174 N LEU C 181 76.357 16.574 3.740 1.00 0.00 N ATOM 1175 CA LEU C 181 76.649 16.298 5.197 1.00 0.00 C ATOM 1176 C LEU C 181 77.537 17.370 5.885 1.00 0.00 C ATOM 1177 O LEU C 181 77.333 17.675 7.041 1.00 0.00 O ATOM 1178 CB LEU C 181 77.246 14.879 5.413 1.00 0.00 C ATOM 1179 CG LEU C 181 78.089 14.395 4.205 1.00 0.00 C ATOM 1180 CD1 LEU C 181 79.541 14.891 4.324 1.00 0.00 C ATOM 1181 CD2 LEU C 181 78.079 12.856 4.148 1.00 0.00 C ATOM 0 H LEU C 181 76.694 15.859 3.095 1.00 0.00 H new ATOM 0 HA LEU C 181 75.675 16.349 5.685 1.00 0.00 H new ATOM 0 HB2 LEU C 181 77.869 14.884 6.307 1.00 0.00 H new ATOM 0 HB3 LEU C 181 76.436 14.172 5.592 1.00 0.00 H new ATOM 0 HG LEU C 181 77.651 14.801 3.293 1.00 0.00 H new ATOM 0 HD11 LEU C 181 80.116 14.541 3.467 1.00 0.00 H new ATOM 0 HD12 LEU C 181 79.552 15.981 4.348 1.00 0.00 H new ATOM 0 HD13 LEU C 181 79.984 14.503 5.241 1.00 0.00 H new ATOM 0 HD21 LEU C 181 78.672 12.520 3.298 1.00 0.00 H new ATOM 0 HD22 LEU C 181 78.504 12.455 5.068 1.00 0.00 H new ATOM 0 HD23 LEU C 181 77.054 12.503 4.037 1.00 0.00 H new ATOM 1193 N LEU C 182 78.559 17.869 5.182 1.00 0.00 N ATOM 1194 CA LEU C 182 79.541 18.864 5.795 1.00 0.00 C ATOM 1195 C LEU C 182 78.903 20.186 6.302 1.00 0.00 C ATOM 1196 O LEU C 182 79.261 20.643 7.367 1.00 0.00 O ATOM 1197 CB LEU C 182 80.677 19.160 4.755 1.00 0.00 C ATOM 1198 CG LEU C 182 81.207 20.612 4.829 1.00 0.00 C ATOM 1199 CD1 LEU C 182 81.649 20.987 6.264 1.00 0.00 C ATOM 1200 CD2 LEU C 182 82.390 20.747 3.858 1.00 0.00 C ATOM 0 H LEU C 182 78.753 17.629 4.210 1.00 0.00 H new ATOM 0 HA LEU C 182 79.942 18.392 6.692 1.00 0.00 H new ATOM 0 HB2 LEU C 182 81.503 18.469 4.923 1.00 0.00 H new ATOM 0 HB3 LEU C 182 80.300 18.968 3.750 1.00 0.00 H new ATOM 0 HG LEU C 182 80.405 21.296 4.551 1.00 0.00 H new ATOM 0 HD11 LEU C 182 82.015 22.014 6.275 1.00 0.00 H new ATOM 0 HD12 LEU C 182 80.800 20.897 6.941 1.00 0.00 H new ATOM 0 HD13 LEU C 182 82.444 20.315 6.587 1.00 0.00 H new ATOM 0 HD21 LEU C 182 82.778 21.765 3.896 1.00 0.00 H new ATOM 0 HD22 LEU C 182 83.176 20.048 4.143 1.00 0.00 H new ATOM 0 HD23 LEU C 182 82.056 20.523 2.845 1.00 0.00 H new ATOM 1212 N PRO C 183 77.968 20.785 5.618 1.00 0.00 N ATOM 1213 CA PRO C 183 77.297 22.036 6.106 1.00 0.00 C ATOM 1214 C PRO C 183 76.399 21.909 7.372 1.00 0.00 C ATOM 1215 O PRO C 183 76.259 22.894 8.069 1.00 0.00 O ATOM 1216 CB PRO C 183 76.479 22.503 4.885 1.00 0.00 C ATOM 1217 CG PRO C 183 76.246 21.264 4.094 1.00 0.00 C ATOM 1218 CD PRO C 183 77.502 20.415 4.286 1.00 0.00 C ATOM 0 HA PRO C 183 78.054 22.738 6.455 1.00 0.00 H new ATOM 0 HB2 PRO C 183 75.538 22.962 5.190 1.00 0.00 H new ATOM 0 HB3 PRO C 183 77.023 23.248 4.304 1.00 0.00 H new ATOM 0 HG2 PRO C 183 75.358 20.736 4.443 1.00 0.00 H new ATOM 0 HG3 PRO C 183 76.086 21.495 3.041 1.00 0.00 H new ATOM 0 HD2 PRO C 183 77.279 19.350 4.221 1.00 0.00 H new ATOM 0 HD3 PRO C 183 78.252 20.631 3.525 1.00 0.00 H new ATOM 1226 N ILE C 184 75.778 20.749 7.701 1.00 0.00 N ATOM 1227 CA ILE C 184 74.932 20.730 8.932 1.00 0.00 C ATOM 1228 C ILE C 184 75.810 20.829 10.204 1.00 0.00 C ATOM 1229 O ILE C 184 75.494 21.596 11.091 1.00 0.00 O ATOM 1230 CB ILE C 184 73.941 19.523 8.960 1.00 0.00 C ATOM 1231 CG1 ILE C 184 73.072 19.538 7.679 1.00 0.00 C ATOM 1232 CG2 ILE C 184 73.013 19.642 10.195 1.00 0.00 C ATOM 1233 CD1 ILE C 184 73.802 18.867 6.495 1.00 0.00 C ATOM 0 H ILE C 184 75.834 19.874 7.180 1.00 0.00 H new ATOM 0 HA ILE C 184 74.297 21.616 8.913 1.00 0.00 H new ATOM 0 HB ILE C 184 74.509 18.594 9.012 1.00 0.00 H new ATOM 0 HG12 ILE C 184 72.132 19.020 7.869 1.00 0.00 H new ATOM 0 HG13 ILE C 184 72.823 20.567 7.419 1.00 0.00 H new ATOM 0 HG21 ILE C 184 72.322 18.799 10.213 1.00 0.00 H new ATOM 0 HG22 ILE C 184 73.615 19.638 11.104 1.00 0.00 H new ATOM 0 HG23 ILE C 184 72.449 20.573 10.138 1.00 0.00 H new ATOM 0 HD11 ILE C 184 73.164 18.895 5.612 1.00 0.00 H new ATOM 0 HD12 ILE C 184 74.730 19.401 6.290 1.00 0.00 H new ATOM 0 HD13 ILE C 184 74.028 17.831 6.747 1.00 0.00 H new